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setup.json
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{
"name": "aiida-core",
"version": "1.0.0",
"url": "http://www.aiida.net/",
"license": "MIT License",
"author": "The AiiDA team",
"author_email": "developers@aiida.net",
"include_package_data": true,
"python_requires": ">=2.7,!=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*",
"classifiers": [
"Framework :: AiiDA",
"License :: OSI Approved :: MIT License",
"Operating System :: POSIX :: Linux",
"Operating System :: MacOS :: MacOS X",
"Programming Language :: Python",
"Programming Language :: Python :: 2.7",
"Programming Language :: Python :: 3.5",
"Programming Language :: Python :: 3.6",
"Programming Language :: Python :: 3.7",
"Topic :: Scientific/Engineering"
],
"install_requires": [
"aldjemy==0.9.1",
"alembic==1.2.1",
"circus==0.15.0",
"click-completion==0.5.1",
"click-config-file==0.5.0",
"click-spinner==0.1.8",
"click==7.0",
"django==1.11.25",
"enum34==1.1.6; python_version<'3.5'",
"ete3==3.1.1",
"graphviz==0.13",
"ipython>=4.0,<6.0",
"kiwipy[rmq]==0.5.1",
"mock==3.0.5",
"numpy==1.16.4",
"paramiko==2.6.0",
"passlib==1.7.1",
"pika==1.1.0",
"plumpy==0.14.3",
"psutil==5.6.3",
"psycopg2-binary==2.8.3",
"pyblake2==1.1.2; python_version<'3.6'",
"python-dateutil==2.8.0",
"pytz==2019.3",
"pyyaml==3.13",
"reentry>=1.3.0",
"simplejson==3.16.0",
"singledispatch>=3.4.0.3; python_version<'3.5'",
"six==1.12.0",
"sqlalchemy-utils==0.34.2",
"sqlalchemy==1.3.10",
"tabulate==0.8.5",
"tornado<5.0",
"typing==3.7.4.1; python_version<'3.5'",
"tzlocal==2.0.0",
"upf_to_json==0.9.2",
"uritools==2.2.0",
"wrapt==1.11.2"
],
"extras_require": {
"ssh_kerberos": [
"gssapi==1.6.1",
"pyasn1==0.4.7"
],
"rest": [
"flask-cache==0.13.1",
"flask-cors==3.0.8",
"flask-httpauth==3.3.0",
"flask-marshmallow==0.10.1",
"flask-restful==0.3.7",
"flask-sqlalchemy==2.4.1",
"flask==1.1.1",
"itsdangerous==1.1.0",
"marshmallow-sqlalchemy==0.19.0",
"pyparsing==2.4.2",
"python-memcached==1.59",
"seekpath==1.9.3",
"sqlalchemy-migrate==0.12.0"
],
"docs": [
"docutils==0.15.2",
"jinja2==2.10.3",
"markupsafe==1.1.1",
"pygments==2.4.2",
"sphinx-rtd-theme==0.4.3",
"sphinx==1.8.5; python_version<'3'",
"sphinx==2.2.0; python_version>='3.0'",
"sphinxcontrib-contentui==0.2.2; python_version<'3'",
"sphinxcontrib-contentui==0.2.4; python_version>='3.0'",
"sphinxcontrib-details-directive==0.1.0; python_version>='3.0'"
],
"atomic_tools": [
"PyCifRW==4.2.1; python_version < '3'",
"PyCifRW==4.4.1; python_version >= '3'",
"ase==3.17.0",
"monty==2.0.4",
"pymatgen<=2018.12.12",
"pymysql==0.9.3",
"seekpath==1.9.3",
"spglib==1.14.1.post0"
],
"notebook": [
"jupyter==1.0.0",
"notebook<6"
],
"testing": [
"aiida-export-migration-tests==0.8.0",
"codecov==2.0.15",
"coverage==4.5.4",
"futures==3.3.0; python_version=='2.7'",
"pg8000<1.13.0",
"pgtest==1.3.1",
"pytest==4.6.6",
"pytest-cov==2.8.1",
"mock==3.0.5; python_version<'3.3'",
"sqlalchemy-diff==0.1.3",
"unittest2==1.1.0; python_version<'3.5'"
],
"dev_precommit": [
"astroid==1.6.6; python_version<'3.0'",
"astroid==2.2.5; python_version>='3.0'",
"pep8-naming==0.8.2",
"pre-commit==1.18.3",
"prospector==1.1.7",
"pylint-django==0.11.1; python_version<'3.0'",
"pylint==1.9.4; python_version<'3.0'",
"pylint==2.3.1; python_version>='3.0'",
"toml==0.10.0",
"yapf==0.28.0"
],
"bpython": [
"bpython==0.17.1"
]
},
"reentry_register": true,
"entry_points": {
"console_scripts": [
"verdi=aiida.cmdline.commands.cmd_verdi:verdi"
],
"aiida.calculations": [
"arithmetic.add = aiida.calculations.plugins.arithmetic.add:ArithmeticAddCalculation",
"templatereplacer = aiida.calculations.plugins.templatereplacer:TemplatereplacerCalculation"
],
"aiida.cmdline.computer.configure": [
"local = aiida.transports.plugins.local:CONFIGURE_LOCAL_CMD",
"ssh = aiida.transports.plugins.ssh:CONFIGURE_SSH_CMD"
],
"aiida.cmdline.data": [
"array = aiida.cmdline.commands.cmd_data.cmd_array:array",
"bands = aiida.cmdline.commands.cmd_data.cmd_bands:bands",
"cif = aiida.cmdline.commands.cmd_data.cmd_cif:cif",
"dict = aiida.cmdline.commands.cmd_data.cmd_dict:dictionary",
"remote = aiida.cmdline.commands.cmd_data.cmd_remote:remote",
"singlefile = aiida.cmdline.commands.cmd_data.cmd_singlefile:singlefile",
"structure = aiida.cmdline.commands.cmd_data.cmd_structure:structure",
"trajectory = aiida.cmdline.commands.cmd_data.cmd_trajectory:trajectory",
"upf = aiida.cmdline.commands.cmd_data.cmd_upf:upf"
],
"aiida.data": [
"array = aiida.orm.nodes.data.array.array:ArrayData",
"array.bands = aiida.orm.nodes.data.array.bands:BandsData",
"array.kpoints = aiida.orm.nodes.data.array.kpoints:KpointsData",
"array.projection = aiida.orm.nodes.data.array.projection:ProjectionData",
"array.trajectory = aiida.orm.nodes.data.array.trajectory:TrajectoryData",
"array.xy = aiida.orm.nodes.data.array.xy:XyData",
"base = aiida.orm.nodes.data:BaseType",
"bool = aiida.orm.nodes.data.bool:Bool",
"cif = aiida.orm.nodes.data.cif:CifData",
"code = aiida.orm.nodes.data.code:Code",
"dict = aiida.orm.nodes.data.dict:Dict",
"float = aiida.orm.nodes.data.float:Float",
"folder = aiida.orm.nodes.data.folder:FolderData",
"int = aiida.orm.nodes.data.int:Int",
"list = aiida.orm.nodes.data.list:List",
"numeric = aiida.orm.nodes.data.numeric:NumericType",
"orbital = aiida.orm.nodes.data.orbital:OrbitalData",
"remote = aiida.orm.nodes.data.remote:RemoteData",
"singlefile = aiida.orm.nodes.data.singlefile:SinglefileData",
"str = aiida.orm.nodes.data.str:Str",
"structure = aiida.orm.nodes.data.structure:StructureData",
"upf = aiida.orm.nodes.data.upf:UpfData"
],
"aiida.node": [
"data = aiida.orm.nodes.data.data:Data",
"process = aiida.orm.nodes.process.process:ProcessNode",
"process.calculation = aiida.orm.nodes.process.calculation.calculation:CalculationNode",
"process.calculation.calcfunction = aiida.orm.nodes.process.calculation.calcfunction:CalcFunctionNode",
"process.calculation.calcjob = aiida.orm.nodes.process.calculation.calcjob:CalcJobNode",
"process.workflow = aiida.orm.nodes.process.workflow.workflow:WorkflowNode",
"process.workflow.workchain = aiida.orm.nodes.process.workflow.workchain:WorkChainNode",
"process.workflow.workfunction = aiida.orm.nodes.process.workflow.workfunction:WorkFunctionNode"
],
"aiida.parsers": [
"arithmetic.add = aiida.parsers.plugins.arithmetic.add:ArithmeticAddParser",
"templatereplacer.doubler = aiida.parsers.plugins.templatereplacer.doubler:TemplatereplacerDoublerParser"
],
"aiida.schedulers": [
"direct = aiida.schedulers.plugins.direct:DirectScheduler",
"lsf = aiida.schedulers.plugins.lsf:LsfScheduler",
"pbspro = aiida.schedulers.plugins.pbspro:PbsproScheduler",
"sge = aiida.schedulers.plugins.sge:SgeScheduler",
"slurm = aiida.schedulers.plugins.slurm:SlurmScheduler",
"torque = aiida.schedulers.plugins.torque:TorqueScheduler"
],
"aiida.transports": [
"local = aiida.transports.plugins.local:LocalTransport",
"ssh = aiida.transports.plugins.ssh:SshTransport"
],
"aiida.tools.calculations": [],
"aiida.tools.dbexporters": [],
"aiida.tools.dbimporters": [
"cod = aiida.tools.dbimporters.plugins.cod:CodDbImporter",
"icsd = aiida.tools.dbimporters.plugins.icsd:IcsdDbImporter",
"materialsproject = aiida.tools.dbimporters.plugins.materialsproject:MaterialsProjectImporter",
"mpds = aiida.tools.dbimporters.plugins.mpds:MpdsDbImporter",
"mpod = aiida.tools.dbimporters.plugins.mpod:MpodDbImporter",
"nninc = aiida.tools.dbimporters.plugins.nninc:NnincDbImporter",
"oqmd = aiida.tools.dbimporters.plugins.oqmd:OqmdDbImporter",
"pcod = aiida.tools.dbimporters.plugins.pcod:PcodDbImporter",
"tcod = aiida.tools.dbimporters.plugins.tcod:TcodDbImporter"
],
"aiida.tools.data.orbitals": [
"orbital = aiida.tools.data.orbital.orbital:Orbital",
"realhydrogen = aiida.tools.data.orbital.realhydrogen:RealhydrogenOrbital"
],
"aiida.workflows": []
},
"scripts": [
"bin/runaiida"
]
}